SCHEMBL5356343

SCHEMBL5356343

CN(C)c1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C(N)SCC2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KLK7 P49862 1/20 0.35
CACNA1B Q00975 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
CPB2 Q96IY4 1/20 0.35
RAB9A P51151 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5343453 0.85 CACNA1B (0.39) CTSDALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL5356337 0.78 CACNA1B (0.46) CYP3A4CACNA1BPOLB
SCHEMBL5356355 0.77 GAA (0.35) CTSDALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL5356183 0.75 SMN1; SMN2 (0.47) ALDH1A1GAACACNA1BCPB2RAB9A
SCHEMBL5352501 0.75 SMN1; SMN2 (0.47) ALDH1A1GAACACNA1BCPB2RAB9A
SCHEMBL5349002 0.75 SMN1; SMN2 (0.47) ALDH1A1GAACACNA1BCPB2RAB9A
SCHEMBL5343448 0.73 CACNA1B (0.60) ALDH1A1LMNACACNA1BRAB9APOLB
SCHEMBL5349620 0.72 RAB9A (0.36) ALDH1A1CYP3A4CYP1A2CYP2C19LMNA
SCHEMBL5364189 0.72 ALDH1A1 (0.49) ALDH1A1LMNACACNA1BCPB2RAB9A
SCHEMBL5343462 0.72 CACNA1B (0.40) ALDH1A1CYP3A4CYP1A2CYP2C19LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CTSD 4241/4885ALDH1A1 3065/4885CYP3A4 3119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.